Geometry & MOs

Info

ID:	198602
PubChem CID:	79123025
Reduced:	FON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	291.256215
ΔH_f, kcal/mol:	-80.36
Dipole, Da:	2.98
IP(EA), eV:	-8.82(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-1-(1-hydroxy-4,4-dimethylcyclohexyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CNC1CCC(CC1)N(C)C(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations